6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol
TL;DR: 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol (CAS 731003-65-9) is a chemical compound with molecular formula C7H7N3O3S and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-6-methylsulfonylbenzotriazole
Also Known As: 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol, 6-(methylsulfonyl)-1H-1,2,3-benzotriazol-1-ol, 1-hydroxy-6-methylsulfonylbenzotriazole, 1-hydroxy-6-methylsulfonyl-benzotriazole, 6-(Methylsulfonyl)-1H-benzo[d][1,2,3]triazol-1-ol
| Molecular Formula | C7H7N3O3S |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 0.0721 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.02081 |
| Heavy Atoms | 14 |
| Complexity | 587.24585 |
Chemical Identifiers
| CAS Number | 731003-65-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=NN2O |
Product Overview
6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol (CAS 731003-65-9), with molecular formula C7H7N3O3S and molecular weight 213.02 g/mol. IUPAC: 1-hydroxy-6-methylsulfonylbenzotriazole.
Chemical Property Profile of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol
Property Insights of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol
The XLogP value of 0.0721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol. Following Lipinski's Rule of Five, 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol?
The CAS number of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol is 731003-65-9.
What is the molecular formula of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol?
The molecular formula of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol is C7H7N3O3S.
What is the molecular weight of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol?
The molecular weight of 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol is 213.02 g/mol.
Where can I buy 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol?
You can request a quote for 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-methanesulfonyl-1H-1,2,3-benzotriazol-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.